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Substance Name: 3-Nitro-o-phenylenediamine
RN: 3694-52-8
UNII: WRZ63L50ZK
InChIKey: IOCXBXZBNOYTLQ-UHFFFAOYSA-N

Note

  • An aromatic amine and nitro compound.

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H7-N3-O2

Molecular Weight

  • 153.14
 
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Names and Synonyms

Name of Substance

  • 3-Nitro-o-phenylenediamine

Synonyms

  • 1,2-Diamino-3-nitrobenzene
  • 2-Amino-6-nitroaniline
  • 3-13-00-00061 (Beilstein Handbook Reference)
  • 3-Nitro-1,2-benzenediamine
  • 3-Nitro-1,2-phenylenediamine
  • 3-Nitro-o-phenylenediamine
  • 3-Nitrophenylenediamine
  • BRN 0909344
  • CCRIS 5427
  • EINECS 223-013-5
  • NSC 84243
  • UNII-WRZ63L50ZK

Systematic Names

  • 1,2-Benzenediamine, 3-nitro- (9CI)
  • 3-Nitro-o-phenylenediamine
  • o-Phenylenediamine, 3-nitro-

Registry Numbers

CAS Registry Number

  • 3694-52-8

FDA UNII

  • WRZ63L50ZK

System Generated Number

  • 0003694528

Structure Descriptors

InChI

1S/C6H7N3O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,7-8H2

InChIKey

IOCXBXZBNOYTLQ-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1)N)N)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 157-159 deg C   EXP
log P (octanol-water) 1.27 (none)   EXP
Water Solubility 6050 mg/L 25 EST
Vapor Pressure 5.60E-05 mm Hg 25 EST
Henry's Law Constant 5.81E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.20E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.